General Information of the Compound
| Compound ID |
CP0551571
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| Compound Name |
3-(4-carboxyphenyl)-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]benzoic acid
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| Formula |
C23H14F3N3O4
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| Molecular Weight |
453.376
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| Canonical SMILES |
OC(=O)c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C23H14F3N3O4/c24-23(25,26)18-7-5-14(6-8-18)20-12-29(28-27-20)19-10-16(9-17(11-19)22(32)33)13-1-3-15(4-2-13)21(30)31/h1-12H,(H,30,31)(H,32,33)
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| InChIKey |
QTVPSCWYOKCLCU-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound